4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

C11H18F2N4O2 — CID 107477953

IUPAC4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CCO)CC(F)F)c1N
InChIInChI=1S/C11H18F2N4O2/c1-3-7-9(14)10(16(2)15-7)11(19)17(4-5-18)6-8(12)13/h8,18H,3-6,14H2,1-2H3
InChIKeyBERALAZLRZRDRS-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.26
Rot. Bonds6

About 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 107477953) has the molecular formula C11H18F2N4O2 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
PubChem CID107477953
Molecular FormulaC11H18F2N4O2
Molecular Weight276.29 g/mol
Exact Mass276.14
IUPAC Name4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CCO)CC(F)F)c1N
InChIInChI=1S/C11H18F2N4O2/c1-3-7-9(14)10(16(2)15-7)11(19)17(4-5-18)6-8(12)13/h8,18H,3-6,14H2,1-2H3
InChIKeyBERALAZLRZRDRS-UHFFFAOYSA-N
XLogP0.26
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide (CID 107477953) is 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(CCO)CC(F)F)c1N.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BERALAZLRZRDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2/c1-3-7-9(14)10(16(2)15-7)11(19)17(4-5-18)6-8(12)13/h8,18H,3-6,14H2,1-2H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107477953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).